37129 <common-name>Mesterolone</common-name> <description nil="true"/> <cas>1424-00-6</cas> <pubchem-id>15020</pubchem-id> <chemical-formula>C20H32O2</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-26T07:09:46Z</created-at> <updated-at type="dateTime">2026-05-14T19:35:00Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB13587</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)C[C@H](C)[C@]12C</moldb-smiles> <moldb-formula>C20H32O2</moldb-formula> <moldb-inchi>InChI=1S/C20H32O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h12-13,15-18,22H,4-11H2,1-3H3/t12-,13-,15-,16-,17-,18-,19-,20-/m0/s1</moldb-inchi> <moldb-inchikey>UXYRZJKIQKRJCF-TZPFWLJSSA-N</moldb-inchikey> <moldb-average-mass type="decimal">304.4669</moldb-average-mass> <moldb-mono-mass type="decimal">304.240230268</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>14296</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM036024</chemdb-id> <dsstox-id>DTXSID90878533</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00007289</susdat-id> <iupac>(1S,3aS,3bR,5aS,9S,9aS,9bS,11aS)-1-hydroxy-9,9a,11a-trimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one</iupac> <moldb-polar-surface-area>37.3</moldb-polar-surface-area> <moldb-refractivity>88.15169999999999</moldb-refractivity> <moldb-polarizability>36.457309177771386</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>19.37770535623561</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-0.883991531283366</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>3.75</moldb-alogps-logp> <moldb-alogps-logs>-4.68</moldb-alogps-logs> <moldb-alogps-solubility>6.41e-03 g/l</moldb-alogps-solubility> </compound>